1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide

C10H11ClN6O — CID 107499813

IUPAC1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H11ClN6O/c11-8-1-2-9(16-15-8)14-10(18)7-5-17(4-3-12)6-13-7/h1-2,5-6H,3-4,12H2,(H,14,16,18)
InChIKeyKJWCUQXIYRICCP-UHFFFAOYSA-N
MW266.69 g/mol
LogP0.54
Rot. Bonds4

About 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide (PubChem CID 107499813) has the molecular formula C10H11ClN6O and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
PubChem CID107499813
Molecular FormulaC10H11ClN6O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H11ClN6O/c11-8-1-2-9(16-15-8)14-10(18)7-5-17(4-3-12)6-13-7/h1-2,5-6H,3-4,12H2,(H,14,16,18)
InChIKeyKJWCUQXIYRICCP-UHFFFAOYSA-N
XLogP0.54
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide
CID 107499822
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
CID 107499798
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
CID 107499014
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 107499624

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide (CID 107499813) is 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2ccc(Cl)nn2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide?
The InChIKey is KJWCUQXIYRICCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O/c11-8-1-2-9(16-15-8)14-10(18)7-5-17(4-3-12)6-13-7/h1-2,5-6H,3-4,12H2,(H,14,16,18).
What are the key properties of 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide has a molecular weight of 266.69 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107499813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).